[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2,6-dimethylquinoline-4-carboxylate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2,6-dimethylquinoline-4-carboxylate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 2,6-dimethylquinoline-4-carboxylate CAS Name: 2,6-dimethyl-4-quinolinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate Traditional Name: 2,6-dimethylcinchoninic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C18H14ClNO3S MolecularWeight: 359.82666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC=C(S3)Cl)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC=C(S3)Cl)C

InChI

InChI=1S/C18H14ClNO3S/c1-10-3-4-14-12(7-10)13(8-11(2)20-14)18(22)23-9-15(21)16-5-6-17(19)24-16/h3-8H,9H2,1-2H3